TAN
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C | N | trip | 1.14Å | 1.16Å | |
C | C2 | sing | 1.47Å | 1.47Å | |
C1 | C2 | sing | 1.53Å | 1.52Å | |
C2 | C3 | sing | 1.53Å | 1.52Å | |
C2 | C4 | sing | 1.53Å | 1.52Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
C1 | H1A | sing | 1.09Å | 1.10Å | |
C1 | H1B | sing | 1.09Å | 1.10Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
C3 | H3A | sing | 1.09Å | 1.10Å | |
C3 | H3B | sing | 1.09Å | 1.10Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
C4 | H4A | sing | 1.09Å | 1.10Å | |
C4 | H4B | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N | C | C2 | 175.5° | 180.0° |
C | C2 | C1 | 108.5° | 109.5° |
C | C2 | C3 | 109.4° | 109.5° |
C | C2 | C4 | 109.5° | 109.5° |
C1 | C2 | C3 | 108.3° | 109.5° |
C1 | C2 | C4 | 110.1° | 109.5° |
C2 | C1 | H1 | 109.5° | 109.5° |
C2 | C1 | H1A | 109.5° | 109.5° |
C2 | C1 | H1B | 109.5° | 109.5° |
C3 | C2 | C4 | 110.9° | 109.5° |
C2 | C3 | H3 | 109.5° | 109.5° |
C2 | C3 | H3A | 109.5° | 109.5° |
C2 | C3 | H3B | 109.5° | 109.5° |
C2 | C4 | H4 | 109.5° | 109.5° |
C2 | C4 | H4A | 109.5° | 109.5° |
C2 | C4 | H4B | 109.5° | 109.5° |
H1 | C1 | H1A | 109.5° | 109.5° |
H1 | C1 | H1B | 109.5° | 109.4° |
H1A | C1 | H1B | 109.4° | 109.4° |
H3 | C3 | H3A | 109.4° | 109.4° |
H3 | C3 | H3B | 109.5° | 109.5° |
H3A | C3 | H3B | 109.5° | 109.5° |
H4 | C4 | H4A | 109.5° | 109.5° |
H4 | C4 | H4B | 109.4° | 109.5° |
H4A | C4 | H4B | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N | C | C2 | C1 | 24.7° | 90.0° |
N | C | C2 | C3 | 142.7° | 90.0° |
N | C | C2 | C4 | 95.6° | 90.0° |
C | C2 | C1 | C3 | 118.7° | 120.0° |
C | C2 | C1 | C4 | 119.9° | 120.0° |
C | C2 | C3 | C4 | 120.9° | 120.0° |
C | C2 | C1 | H1 | 180.0° | 60.0° |
C | C2 | C1 | H1A | 60.0° | 180.0° |
C | C2 | C1 | H1B | 60.0° | 60.0° |
C | C2 | C3 | H3 | 180.0° | 60.0° |
C | C2 | C3 | H3A | 60.0° | 180.0° |
C | C2 | C3 | H3B | 60.0° | 60.0° |
C | C2 | C4 | H4 | 180.0° | 60.0° |
C | C2 | C4 | H4A | 60.0° | NaN° |
C | C2 | C4 | H4B | 60.0° | 60.0° |
C1 | C2 | C3 | C4 | 120.9° | 120.0° |
C2 | C1 | H1 | H1A | 120.0° | 120.0° |
C2 | C1 | H1 | H1B | 120.0° | 120.0° |
C2 | C1 | H1A | H1B | 120.0° | 120.0° |
C1 | C2 | C3 | H3 | 61.8° | 180.0° |
C1 | C2 | C3 | H3A | 58.1° | 60.0° |
C1 | C2 | C3 | H3B | 178.1° | 60.0° |
C1 | C2 | C4 | H4 | 60.7° | 60.0° |
C1 | C2 | C4 | H4A | 179.3° | 60.0° |
C1 | C2 | C4 | H4B | 59.3° | 180.0° |
C3 | C2 | C1 | H1 | 61.3° | 60.0° |
C3 | C2 | C1 | H1A | 178.7° | 60.0° |
C3 | C2 | C1 | H1B | 58.7° | 180.0° |
C2 | C3 | H3 | H3A | 120.0° | 120.0° |
C2 | C3 | H3 | H3B | 120.0° | 120.0° |
C2 | C3 | H3A | H3B | 120.0° | 120.0° |
C3 | C2 | C4 | H4 | 59.2° | 180.0° |
C3 | C2 | C4 | H4A | 60.8° | 60.0° |
C3 | C2 | C4 | H4B | 179.1° | 60.0° |
C4 | C2 | C1 | H1 | 60.1° | 180.0° |
C4 | C2 | C1 | H1A | 59.9° | 60.0° |
C4 | C2 | C1 | H1B | 179.9° | 60.0° |
C4 | C2 | C3 | H3 | 59.1° | 60.0° |
C4 | C2 | C3 | H3A | 179.0° | 60.0° |
C4 | C2 | C3 | H3B | 61.0° | 180.0° |
C2 | C4 | H4 | H4A | 120.0° | 120.0° |
C2 | C4 | H4 | H4B | 120.0° | 120.0° |
C2 | C4 | H4A | H4B | 120.0° | 120.0° |
H1 | C1 | H1A | H1B | 120.0° | 119.9° |
H3 | C3 | H3A | H3B | 120.0° | 120.0° |
H4 | C4 | H4A | H4B | 120.0° | 120.0° |